Geometry & MOs

Info

ID:	332714
PubChem CID:	127251000
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-68.87
Dipole, Da:	4.15
IP(EA), eV:	-8.98(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-1-[2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN=CC(=N2)C3CN(CCO3)C(=O)C4CCCC4

DOS

IR

Vibrations